Authors

Document Type

Book Section

Publication Date

2001

Publication Title

Advances in Quantum Chemistry

Publisher

Academic Press

Volume

40

First page number:

37

Last page number:

48

Abstract

We survey the spin-coupled valence (SCVB) approach to the calculation of potential curves and nonadiabatic couplings for charge transfer in collisons of multiply-charged ions with neutral atomic targets. Subsequent fully-quantal close-coupling scattering calculations may be performed after transformation to a particularly convenient diabatic basis, and we outline how this is achieved. Various aspects of the SCVB methodology are illustrated by means of new calculations for the N2+/He system. Target isotope effects are also discussed briefly, taking the Si(3s)/He system as a representative example.